4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine

C14H29NO — CID 105157860

IUPAC4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine
SMILESCCCNC(CCC1CC1)COC(C)(C)C
InChIInChI=1S/C14H29NO/c1-5-10-15-13(9-8-12-6-7-12)11-16-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyQPUAZNUJNHWZEY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine

4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine (PubChem CID 105157860) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine
PubChem CID105157860
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine
SMILESCCCNC(CCC1CC1)COC(C)(C)C
InChIInChI=1S/C14H29NO/c1-5-10-15-13(9-8-12-6-7-12)11-16-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyQPUAZNUJNHWZEY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105157672
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
CID 114984289
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
3-(2-cyclopropylethoxy)-2-(propylamino)propan-1-ol
CID 106206742
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine?
The IUPAC name of 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine (CID 105157860) is 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine.
What is the SMILES notation for 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine?
The canonical SMILES for 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine is CCCNC(CCC1CC1)COC(C)(C)C.
What is the InChIKey of 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine?
The InChIKey is QPUAZNUJNHWZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-10-15-13(9-8-12-6-7-12)11-16-14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine?
4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine is sourced from PubChem (CID 105157860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).